GM 6001, MMP inhibitor (DMSO solution)

Key facts

CAS number

142880-36-2

Purity

>98%

Form

Liquid

form

Molecular weight

388.5 Da

Molecular formula

C₂₀H₂₈N₄O₄

PubChem

132519

Nature

Synthetic

Biochemical name

Ilomastat

Biological description

Broad spectrum potent MMP inhibitor. Ki values are 0.4 (MMP-1), 0.5 (MMP-2), 27 (MMP-3), 0.1 (MMP-8), 0.2 (MMP-9), 13.4 (MMP-14) and 0.36 (MMP-26) nM. IC₅₀ value for MMP-7 is 3.7 nM. Pharmacologically active in vivo.

Canonical smiles

CC(C)CC(CC(=O)NO)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC

Isomeric smiles

CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NC

InChi

InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1

InChiKey

NITYDPDXAAFEIT-DYVFJYSZSA-N

IUPAC Name

(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide